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Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-isobutyl-
SpectraBase Compound ID K4Jrnfz7lzX
InChI InChI=1S/C18H17N3O6/c1-12(2)11-19(17(22)13-3-7-15(8-4-13)20(24)25)18(23)14-5-9-16(10-6-14)21(26)27/h3-10,12H,11H2,1-2H3
InChIKey XPYMOAXTRHRMOM-UHFFFAOYSA-N
Mol Weight 371.35 g/mol
Molecular Formula C18H17N3O6
Exact Mass 371.111735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTkKp4Hoy7H
Name Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-isobutyl-
Comments Computed using HOSE algorithm
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Exact Mass 371.111735273 u
Formula C18H17N3O6
InChI InChI=1S/C18H17N3O6/c1-12(2)11-19(17(22)13-3-7-15(8-4-13)20(24)25)18(23)14-5-9-16(10-6-14)21(26)27/h3-10,12H,11H2,1-2H3
InChIKey XPYMOAXTRHRMOM-UHFFFAOYSA-N
Molecular Weight 371.349 g/mol
SMILES C1=C(C=CC(=C1)N(=O)=O)C(N(CC(C)C)C(=O)C1=CC=C(C=C1)N(=O)=O)=O